seniority/H8_cc-pvdz/pes_orbital_energy_7.dat

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2022-01-28 20:46:59 +01:00
1.0 0.35531
1.1 0.37176
1.2 0.39252
1.3 0.41128
1.4 0.42665
1.5 0.42402
1.6 0.40846
1.7 0.39277
1.75 0.38471
1.8 0.37626
1.85 0.36729
1.9 0.35769
1.95 0.34745
2.0 0.33655
2.05 0.32507
2.1 0.31310
2.15 0.30074
2.2 0.28812
2.25 0.27535
2.3 0.26255
2.4 0.23719
2.5 0.21262
2.6 0.18918
2.7 0.16706
2.8 0.14633
2.9 0.12697
3.0 0.10896
3.1 0.09221
3.2 0.07666
3.3 0.06220
3.4 0.04876
3.5 0.03625
3.6 0.02460
3.7 0.01372
3.8 0.00356
3.9 -0.00594
4.0 -0.01484
4.1 -0.02320
4.2 -0.03104
4.3 -0.03842
4.4 -0.04536
4.5 -0.05190
4.6 -0.05807
4.7 -0.06388
4.8 -0.06938
4.9 -0.07457
5.0 -0.07947
5.1 -0.08412
5.2 -0.08851
5.3 -0.09266
5.4 -0.09660
5.5 -0.10033
5.6 -0.10386
5.7 -0.10721
5.8 -0.11038
5.9 -0.11340
6.0 -0.11625
6.1 -0.11896
6.2 -0.12154
6.3 -0.12398
6.4 -0.12631
6.5 -0.12851
6.6 -0.13061
6.7 -0.13261
6.8 -0.13450
6.9 -0.13631
7.0 -0.13803
7.5 -0.14552
8.0 -0.15152
8.5 -0.15641
9.0 -0.16048
9.5 -0.16392
10.0 -0.16690